Ethyl 2-Ethoxybenzoate - ≥98%(GC) , CAS No.6290-24-0

CAS: 6290-24-0 Cat. No.: E156533 分子式: C₁₁H₁₄O₃ 分子量: 194.23 EC番号: 613-104-1

グレード＆純度 ≥98%(GC)

Synonyms

DTXSID20278183 | MFCD00142907 | SCHEMBL536025 | SY052597 | Ethyl 2-ethoxybenzoate, AldrichCPR | 2-Ethoxybenzoic Acid Ethyl Ester | Ethyl 2-ethoxybenzoate | Ethyl 2-Ethoxy-benzoate | NSC6584 | NSC-6584 | AC-11541 | D87677 | AKOS008948359 | NSC 6584 | AS-12

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

DTXSID20278183 | MFCD00142907 | SCHEMBL536025 | SY052597 | Ethyl 2-ethoxybenzoate, AldrichCPR | 2-Ethoxybenzoic Acid Ethyl Ester | Ethyl 2-ethoxybenzoate | Ethyl 2-Ethoxy-benzoate | NSC6584 | NSC-6584 | AC-11541 | D87677 | AKOS008948359 | NSC 6584 | AS-12

仕様と純度

≥98%(GC)

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

504757905

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757905

カノニカル・スマイル

CCOC1=CC=CC=C1C(=O)OCC

IUPAC Name

ethyl 2-ethoxybenzoate

InChIKey

OUZCDRGUTZLAGO-UHFFFAOYSA-N

INCHI

1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2,1-2H3

異性体SMILES

CCOC1=CC=CC=C1C(=O)OCC

分子量

194.23

Reaxy-Rn

2575793

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 感度: Moisture sensitive
• 屈折率: 1.5510 to 1.5550
• 沸点（°C）: 118°C/4mmHg
• 分子量: 194.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094 Da
• Monoisotopic Mass: 194.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 179.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1